Sugi Predict

Sugi Predict / Compounds / SCHEMBL6131410

SCHEMBL6131410

SCHEMBL6131410

CC(C)c1cccc(C(C)C)c1Nc1ccccc1C=N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CXCL8 P10145 5/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GABRA1 P14867 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ FAAH O00519 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6131394 0.83 LMNA (0.41) LPAR1LMNAKMT2AL3MBTL1CXCL8
SCHEMBL31447156 0.82 LMNA (0.47) LPAR1LMNAKMT2AL3MBTL1CXCL8
SCHEMBL6744857 0.82 LMNA (0.47) LPAR1LMNAKMT2AL3MBTL1CXCL8
SCHEMBL13944066 0.79 CXCL8 (0.38) LPAR1LMNAKMT2AL3MBTL1CXCL8
SCHEMBL14431354 0.76 GABRA1 (0.44) LMNAKMT2AL3MBTL1POLBGABRA1
SCHEMBL4804825 0.75 CXCL8 (0.44) LPAR1LMNAKMT2AL3MBTL1CXCL8
SCHEMBL2927809 0.74 LMNA (0.41) LPAR1LMNAKMT2AL3MBTL1CXCL8
SCHEMBL4131377 0.74 CXCR2 (0.45) LPAR1LMNAKMT2AL3MBTL1CXCL8
SCHEMBL30299532 0.74 MAPT (0.47) LPAR1LMNAKMT2AL3MBTL1CXCL8
SCHEMBL13800729 0.74 LMNA (0.41) LPAR1LMNAKMT2AL3MBTL1CXCL8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974878-B2 Catalyst ligands, catalytic metal complexes and processes using same SYMYX TECHNOLOGIES, INC. (US) 2005-12-13 — — US disclosed
US-20040249157-A1 Catalyst ligands, catalytic metal complexes and processes using same SYMYX TECHNOLOGIES, INC. 2004-12-09 — — US disclosed
US-20040242881-A1 Catalyst ligands, catalytic metal complexes and processes using same SYMYX TECHNOLOGIES, INC. 2004-12-02 — — US disclosed
US-20020137934-A1 Catalyst ligands, catalytic metal complexes and processes using and methods of making same SYMYX TECHNOLOGIES 2002-09-26 — — US disclosed
US-6316663-B1 CATALYTIC ADDITION POLYMERIZATION OF OLEFINS, DIOLEFINS, AND/OR ACETYLENIC COMPOUNDS SYMYX TECHNOLOGIES, INC. 2001-11-13 — — US disclosed
EP-1131283-A1 CATALYST LIGANDS, CATALYTIC METAL COMPLEXES AND PROCESSES USING AND METHODS OF MAKING SAME SYMYX TECHNOLOGIES (US) 2001-09-12 — — EP disclosed
WO-2001019786-A1 CATALYST LIGANDS, CATALYTIC METAL COMPLEXES AND PROCESSES USING AND METHODS OF MAKING SAME SYMYX TECHNOLOGIES (US) 2001-03-22 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040249157-A1 Catalyst ligands, catalytic metal complexes and processes using same SOD1, OSTC, ZC3HAV1L LPAR1 2713/4885LMNA 3938/4885KMT2A 2527/4885
US-20040242881-A1 Catalyst ligands, catalytic metal complexes and processes using same SOD1, OSTC, ZC3HAV1L LPAR1 2713/4885LMNA 3938/4885KMT2A 2527/4885
US-20020137934-A1 Catalyst ligands, catalytic metal complexes and processes using and methods of making same SOD1, ZC3HAV1L, OSTC LPAR1 2785/4885LMNA 3914/4885KMT2A 2238/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.